iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis (Q33826989)

29 July 2017

iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis (English)

1 reference

29 July 2017

Jinn-Moon Yang

4

1 reference

ORCID Public Data File 2021

author name string

Kai-Cheng Hsu

series ordinal

1

1 reference

PubMed ID

21342564

29 July 2017

Yen-Fu Chen

series ordinal

2

1 reference

PubMed ID

21342564

29 July 2017

Shen-Rong Lin

series ordinal

3

1 reference

29 July 2017

15 February 2011

1 reference

29 July 2017

1 reference

29 July 2017

12 Suppl 1

1 reference

29 July 2017

S33

1 reference

https://scigraph.springernature.com/pub.10.1186/1471-2105-12-s1-s33

29 July 2017

0 references

cites work

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Aurintricarboxylic acid inhibits influenza virus neuraminidase

4 July 2018

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Pseudoreceptor models in drug design: bridging ligand- and receptor-based virtual screening

4 July 2018

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Molecule-pharmacophore superpositioning and pattern matching in computational drug design

4 July 2018

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Combinatorial Computational Approaches to Identify Tetracycline Derivatives as Flavivirus Inhibitors

4 July 2018

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Structure-guided optimization of estrogen receptor binding affinity and antagonist potency of pyrazolopyrimidines with basic side chains.

4 July 2018

1 reference

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Inhibition of herpes simplex virus thymidine kinases by 2-phenylamino-6-oxopurines and related compounds: structure-activity relationships and antiherpetic activity in vivo

4 July 2018

1 reference

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A pharmacophore-based evolutionary approach for screening selective estrogen receptor modulators

4 July 2018

1 reference

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Docking and scoring in virtual screening for drug discovery: methods and applications

4 July 2018

1 reference

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Java Treeview--extensible visualization of microarray data

4 July 2018

1 reference

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GEMDOCK: a generic evolutionary method for molecular docking.

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Structure-based virtual screening: an overview

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

A new test set for validating predictions of protein-ligand interaction.

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Interaction of transcriptional intermediary factor 2 nuclear receptor box peptides with the coactivator binding site of estrogen receptor alpha

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

4 July 2018

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Conservative mutations of glutamine-125 in herpes simplex virus type 1 thymidine kinase result in a ganciclovir kinase with minimal deoxypyrimidine kinase activities

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Molecular basis of agonism and antagonism in the oestrogen receptor

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

The structures of thymidine kinase from herpes simplex virus type 1 in complex with substrates and a substrate analogue

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Development and validation of a genetic algorithm for flexible docking

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

RASMOL: biomolecular graphics for all

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Pharmacophore based receptor modeling: the case of adenosine A3 receptor antagonists. An approach to the optimization of protein models.

4 July 2018

1 reference

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Understanding the selectivity of genistein for human estrogen receptor-beta using X-ray crystallography and computational methods

29 October 2018

1 reference

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Consideration of molecular weight during compound selection in virtual target-based database screening

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

The rational of catalytic activity of herpes simplex virus thymidine kinase. a combined biochemical and quantum chemical study.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Substrate diversity of herpes simplex virus thymidine kinase. Impact Of the kinematics of the enzyme.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Drug resistance of herpes simplex virus type 1--structural considerations at the molecular level of the thymidine kinase.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3044289

Interaction force diagrams: new insight into ligand-receptor binding

29 October 2018

1 reference

12 December 2020

Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

1 reference

12 December 2020

Herpesviral thymidine kinases: laxity and resistance by design

1 reference

12 December 2020

Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity

1 reference

12 December 2020

10.1186/1471-2105-12-S1-S33

Identifiers

DOI

1 reference

29 July 2017

journals/bmcbi/HsuCLY11

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

29 July 2017

1 reference

PubMed ID

21342564